3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid

C20H12F3N3O3S — CID 67429891

IUPAC3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid
SMILESNC(=O)c1sc(-c2cnc3ccccn23)cc1-c1cccc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C20H12F3N3O3S/c21-20(22,23)16-10(4-3-5-11(16)19(28)29)12-8-14(30-17(12)18(24)27)13-9-25-15-6-1-2-7-26(13)15/h1-9H,(H2,24,27)(H,28,29)
InChIKeyGEQCORFIYAKEJH-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.55
Rot. Bonds4

About 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid

3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid (PubChem CID 67429891) has the molecular formula C20H12F3N3O3S and a molecular weight of 431.40 g/mol. Its IUPAC name is 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid
PubChem CID67429891
Molecular FormulaC20H12F3N3O3S
Molecular Weight431.40 g/mol
Exact Mass431.06
IUPAC Name3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid
SMILESNC(=O)c1sc(-c2cnc3ccccn23)cc1-c1cccc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C20H12F3N3O3S/c21-20(22,23)16-10(4-3-5-11(16)19(28)29)12-8-14(30-17(12)18(24)27)13-9-25-15-6-1-2-7-26(13)15/h1-9H,(H2,24,27)(H,28,29)
InChIKeyGEQCORFIYAKEJH-UHFFFAOYSA-N
XLogP4.55
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid (CID 67429891) is 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid is NC(=O)c1sc(-c2cnc3ccccn23)cc1-c1cccc(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is GEQCORFIYAKEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3S/c21-20(22,23)16-10(4-3-5-11(16)19(28)29)12-8-14(30-17(12)18(24)27)13-9-25-15-6-1-2-7-26(13)15/h1-9H,(H2,24,27)(H,28,29).
What are the key properties of 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid?
3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 431.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyl-5-imidazo[1,2-a]pyridin-3-ylthiophen-3-yl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 67429891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).